CARA is on one hand the name of an optimized process model for the analysis and assignment of NMR spectra, and on the other hand the name of an interactive, graphical computer program supporting that process. The computer program CARA is a complete implementation of the conceptual model formally introduced in the Ph.D. thesis of Rochus Keller. It can be seen as a proof-of-concept of this model and thus as a side effect of the Ph.D. project. The model itself is able to describe and capture all information coming up during the analysis and resonance assignment of NMR spectra and to ensure consistency.
CARA is a modern, efficient computer program featuring a state-of-the-art graphical user interface (GUI) with many usability features (like undo/redo) and a look and feel commonly accepted by the community. It is completely platform independent, offering identical features on all platforms. The program is currently deployed on Microsoft Windows (9x, ME, 2k, XP), Linux, Macintosh OS X, Sun Solaris and Silicon Graphics IRIX. Since CARA simply consists of a single executable file, installation is very easy (no libraries and the like are needed). Everything is written in ANSI C++ (more than hundred thousand lines of code), adhering to modern software engineering standards. The program is therefore very fast, maintainable, extensible and adaptable to future developments.
CARA follows a semi-automatic approach and causes a significant increase of process efficiency and a decrease of error probability. Contrary to previous solutions like XEASY, whose information management is primarily based on peaklists, CARA makes use of a central repository able to manage abstract and semantically interlinked information objects. The availability of this repository allows to dynamically calculate the needed projections (e.g. the cross-peaks expected of a concrete spectrum) by means of incremental inference algorithms. Further concepts have been developed to simulate the magnetization pathways of NMR experiments, to integrate cross-peaks and to back-calculate and efficiently store NMR spectra. CARA also contains a powerful scripting language which allows to implement algorithms, user interfaces and custom persistent data structures.

This website is maintained by Rochus Keller, rkeller@nmr.ch